In the first place, we wish to state
that Open3DQSAR would never have seen the light of day without the invaluable
pioneering work of Prof. Gabriele Cruciani and colleagues in the field
of chemometrics applied to 3D-QSAR. We have referred to their detailed
published methodologies [1, 2,
3, 4] to code Open3DQSAR's
implementation of the Smart Region Definition and Fractional Factorial
Design algorithms, a task which would have been extremely hard in
the absence of such outstanding guidance.
Next we wish to acknowledge
the contribution to our project of
which allowed to speed up the development of the
atom typing code; thanks to all
developers and in particular to
who merged in real time our changes and additions to the
We are also indebted
to the authors of the UVE-PLS and IVE-PLS methodologies, as well as
to the authors of their later extensions [5, 6, 7]. Progressive scrambling
was implemented according to the original work published
by Clark and Fox .
we wish to cite the authors of some algorithms we
used in Open3DQSAR, and namely:
- Francois Lekien, Chad Coulliette and Jerry Marsden for their
tricubic interpolation algorithms 
- Barry Brown, James Lovato and Kathy Russell, for their
which we included in Open3DQSAR to calculate the Student's t distribution.
- Takuji Nishimura and Makoto Matsumoto for their
Twister random number generator 
Program testing has been carried out taking advantage of the
ShareGrid distributed platform
- David E. Stewart and Zbigniew Leyk, for providing inspiration with their
library about how to code an efficient quicksort
- Baroni, M.; Costantino, G.;
Cruciani, G.; Riganelli, D.; Valigi, R.; Clementi, S.
Quant. Struct-Act. Relat.
- Baroni, M.; Clementi, S.;
Cruciani, G.; Costantino, G.; Riganelli, D.
- Kastenholz, M. A.; Pastor, M.;
Cruciani, G.; Haaksma, E. E. J.; Fox, T.
J. Med. Chem.
- Pastor, M.; Cruciani, G.; Clementi, S.
J. Med. Chem.
- Centner, V.; Massart, D. L.; de Noord, O. E.;
de Jong, S.; Vandeginste, B. M.; Sterna, C.
- Gieleciak, R.; Polanski, J.
J. Chem. Inf. Model.
- Grohmann, R.; Schindler, T.
J. Comput. Chem.
- Clark, R. D.; Fox, P. C.
J. Comput.-Aided Mol. Des.
- Lekien, F.; Marsden, J.
Int. J. Numer. Methods Eng.
- Matsumoto, M.; Nishimura, T.
ACM Trans. Model. Comput. Simul.
- Anglano, C.; Canonico, M.; Guazzone, M.;
Botta, M.; Rabellino, S.; Arena, S.; Girardi, G.
Proceedings of CCGRID'08,
Lyon (France), IEEE Press.